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Substance Name: 3-Methoxybenzaldehyde
RN: 591-31-1
UNII: 8ZAO7S0IVH
InChIKey: WMPDAIZRQDCGFH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.1492
 
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Names and Synonyms

Name of Substance

  • 3-Methoxybenzaldehyde

Synonyms

  • 3-Anisaldehyde
  • 3-Methoxybenzaldehyde
  • 4-08-00-00241 (Beilstein Handbook Reference)
  • AI3-52556
  • BRN 0606013
  • CCRIS 960
  • EINECS 209-712-8
  • m-Anisaldehyde
  • m-Methoxybenzaldehyde
  • Metamethoxybenzaldehyde
  • NSC 43794
  • UNII-8ZAO7S0IVH

Systematic Names

  • 3-Methoxybenzaldehyde
  • Benzaldehyde, 3-methoxy-
  • m-Anisaldehyde

Registry Numbers

CAS Registry Number

  • 591-31-1

FDA UNII

  • 8ZAO7S0IVH

System Generated Number

  • 0000591311

Structure Descriptors

InChI

1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3

InChIKey

WMPDAIZRQDCGFH-UHFFFAOYSA-N

Smiles

c1c(cccc1OC)C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 231 deg C   EXP
log P (octanol-water) 1.71 (none)   EXP
Water Solubility 3010 mg/L 25 EST
Vapor Pressure 0.121 mm Hg 25 EST
Henry's Law Constant 7.94E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.86E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.